Crystallography Open Database

Information card for entry 2204573

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Structure parameters

Chemical name	cis-meso-rac-[1,3-Bis(butylsulfanyl)propane-κ^2^S,S']dichloropalladium(II)
Formula	C11 H24 Cl2 Pd S2
Calculated formula	C11 H24 Cl2 Pd S2
SMILES	[Pd]1(Cl)(Cl)[S](CCCC)CCC[S]1CCCC
Title of publication	<i>cis</i>-[1,3-Bis(butylsulfanyl)propane-κ^2^<i>S</i>,<i>S</i>']dichloropalladium(II): <i>meso</i> and <i>rac</i> forms in the same crystal structure
Authors of publication	Chen, Wei; Wang, Jing-Kang; Li, Hong
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m1656 - m1658
a	23.142 ± 0.012 Å
b	12.221 ± 0.006 Å
c	12.031 ± 0.006 Å
α	90°
β	94.484 ± 0.009°
γ	90°
Cell volume	3392 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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